Indole, 3-((dibutylamino)methyl)-5-nitro-
TL;DR: Indole, 3-((dibutylamino)methyl)-5-nitro- (CAS 3414-67-3) is a chemical compound with molecular formula C17H25N3O2 and molecular weight 303.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-N-[(5-nitro-1H-indol-3-yl)methyl]butan-1-amine
Also Known As: 5-Nitrogramine, 5-Nitro-3-(dibutylaminomethyl)indole, 3-((Dibutylamino)methyl)-5-nitroindole, INDOLE, 3-((DIBUTYLAMINO)METHYL)-5-NITRO-, N,N-Dibutyl-5-nitro-1H-indole-3-methanamine
| Molecular Formula | C17H25N3O2 |
|---|---|
| Molecular Weight | 303.19 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 303.19467 |
| Heavy Atoms | 22 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 3414-67-3 |
|---|---|
| SMILES | CCCCN(CCCC)CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-] |
| InChIKey | SXZLXOISSHULKG-UHFFFAOYSA-N |
Product Overview
Indole, 3-((dibutylamino)methyl)-5-nitro- (CAS 3414-67-3), with molecular formula C17H25N3O2 and molecular weight 303.19 g/mol. IUPAC: N-butyl-N-[(5-nitro-1H-indol-3-yl)methyl]butan-1-amine.
Chemical Property Profile of Indole, 3-((dibutylamino)methyl)-5-nitro-
Property Insights of Indole, 3-((dibutylamino)methyl)-5-nitro-
The XLogP value of 4.2 indicates that Indole, 3-((dibutylamino)methyl)-5-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Indole, 3-((dibutylamino)methyl)-5-nitro-. Following Lipinski's Rule of Five, Indole, 3-((dibutylamino)methyl)-5-nitro- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Indole, 3-((dibutylamino)methyl)-5-nitro-?
The CAS number of Indole, 3-((dibutylamino)methyl)-5-nitro- is 3414-67-3.
What is the molecular formula of Indole, 3-((dibutylamino)methyl)-5-nitro-?
The molecular formula of Indole, 3-((dibutylamino)methyl)-5-nitro- is C17H25N3O2.
What is the molecular weight of Indole, 3-((dibutylamino)methyl)-5-nitro-?
The molecular weight of Indole, 3-((dibutylamino)methyl)-5-nitro- is 303.19 g/mol.
Where can I buy Indole, 3-((dibutylamino)methyl)-5-nitro-?
You can request a quote for Indole, 3-((dibutylamino)methyl)-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole, 3-((dibutylamino)methyl)-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Indole, 3-((dibutylamino)methyl)-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.